2-(fluoromethoxy)-1,3,4-trimethylbenzene

C10H13FO — CID 89340105

IUPAC2-(fluoromethoxy)-1,3,4-trimethylbenzene
SMILESCc1ccc(C)c(OCF)c1C
InChIInChI=1S/C10H13FO/c1-7-4-5-8(2)10(9(7)3)12-6-11/h4-5H,6H2,1-3H3
InChIKeyWHKOYBNJSHHUIM-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.92
Rot. Bonds2

About 2-(fluoromethoxy)-1,3,4-trimethylbenzene

2-(fluoromethoxy)-1,3,4-trimethylbenzene (PubChem CID 89340105) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-(fluoromethoxy)-1,3,4-trimethylbenzene.

Molecular Properties

Compound Name2-(fluoromethoxy)-1,3,4-trimethylbenzene
PubChem CID89340105
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name2-(fluoromethoxy)-1,3,4-trimethylbenzene
SMILESCc1ccc(C)c(OCF)c1C
InChIInChI=1S/C10H13FO/c1-7-4-5-8(2)10(9(7)3)12-6-11/h4-5H,6H2,1-3H3
InChIKeyWHKOYBNJSHHUIM-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromopropoxy)-1,3,4-trimethylbenzene
CID 43345569
2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene
CID 118830282
2-(9-bromononoxy)-1,3,4-trimethylbenzene
CID 105343302
1,2,4-trimethyl-3-pent-4-ynoxybenzene
CID 82363090
3-methyl-1-(2,3,6-trimethylphenoxy)butan-2-one
CID 79395306
3-[(2,3,6-trimethylphenoxy)methyl]azetidine
CID 116820174
2-(2-azidoethoxy)-1,3,4-trimethylbenzene
CID 61396645
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
1-(4-fluorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43224754
N-tert-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine
CID 62485325
N-[2-(2,3,6-trimethylphenoxy)ethyl]butan-1-amine
CID 2262500
2-(3-azidopropoxy)-1,3,4-trimethylbenzene
CID 61396646

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxy)-1,3,4-trimethylbenzene?
The IUPAC name of 2-(fluoromethoxy)-1,3,4-trimethylbenzene (CID 89340105) is 2-(fluoromethoxy)-1,3,4-trimethylbenzene.
What is the SMILES notation for 2-(fluoromethoxy)-1,3,4-trimethylbenzene?
The canonical SMILES for 2-(fluoromethoxy)-1,3,4-trimethylbenzene is Cc1ccc(C)c(OCF)c1C.
What is the InChIKey of 2-(fluoromethoxy)-1,3,4-trimethylbenzene?
The InChIKey is WHKOYBNJSHHUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-7-4-5-8(2)10(9(7)3)12-6-11/h4-5H,6H2,1-3H3.
What are the key properties of 2-(fluoromethoxy)-1,3,4-trimethylbenzene?
2-(fluoromethoxy)-1,3,4-trimethylbenzene has a molecular weight of 168.21 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxy)-1,3,4-trimethylbenzene is sourced from PubChem (CID 89340105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).